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Search results for cheminformatics molecular descriptors
cheminformatics
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molecular-descriptors
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2 search results found
Rcpi
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28
Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.
Spoc
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8
An integrated Python package for molecular descriptor generation, data processing, model training, and hyper-parameter optimization.
Qed
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8
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
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